This repository contains notebooks that demonstrate the utilization of open-source codes for the study of materials science.
Over the course of my work, I frequently get requests (from students, postdocs, collaborators, or just general users) for example codes that demonstrate various capabilities in the open-source software I maintain and contribute to, such as the Materials Project software stack comprising Python Materials Genomics (pymatgen) (http://www.pymatgen.org), Custodian, and Fireworks. I have began to realize that writing customized code snippets is not an efficient use of my time.
This repo is a start at building a more sustainable path towards sharing of code examples.
It is not limited to the codes I develop - any use of open source software for materials analysis is welcome.
Contributors are not limited to myself - anyone is welcome to contribute. Just fork, write and submit pull request.
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Notebooks should be fairly well-documented and simple. The idea here is to be pedagogical. A newcomer to the software (with the right materials science technical background) should be able to follow the logic without too much difficulty.
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Notebooks should be placed in the appropriate year folder, and the name should start with the date of the notebook in YYYYMMDD format. See existing examples.
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Feel free to add authorship and contact information, as well as works to cite and acknowledge your contributions.